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Słowo kluczowe chemical bond

2011

A mechanism of the 1,3-dipolar cycloaddition between the hydrogen nitryl HNO2 and acetylene HCCH: the electron localization function study on evolution of the chemical bonds.

Berski Sławomir, Latajka Zdzisław

2010

Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT.

Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.

2018

Characterisation of the reaction mechanism between ammonia and formaldehyde from the topological analysis of ELF and catastrophe theory perspective.

Ćmikiewicz Agnieszka, Gordon Agnieszka J., Berski Sławomir

2016

How many electrons form chemical bonds in the NgBeS (Ng = Ar, Kr, Xe) molecules? Topological study using the electron localisation function (ELF) and electron localisability indicator (ELI-D).

Makarewicz Emilia, Gordon Agnieszka J., Berski Sławomir

2012

Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory.

Andrés Juan, Berski Sławomir, Domingo Luis R., González-Navarrete Patricio

2010

Quantum chemical topology: the electronic structure of the alkaline nitrites MONO (M = Li, Na, K) studied by means of topological analysis of the electron localization function.

Berski Sławomir, Latajka Zdzisław

2018

The electronic structure of molecules with the B—F and B—Cl bond in light of the topological analysis of electron localization function: possibility of multiple bonds?

Mierzwa Grzegorz, Gordon Agnieszka J., Berski Sławomir

2015

The mechanism of the formation of the hemiaminal and Schiff base from the benzaldehyde and triazole studied by means of the topological analysis of electron localisation function and catastrophe theory.

Berski Sławomir, Ciunik Leszek Z.

2020

The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods.

Mierzwa Grzegorz, Gordon Agnieszka J., Berski Sławomir

2020

The nature of the triple B≡B, double, B=B, single, B–B, and one-electron, B·B boron-boron bonds from the topological analysis of electron localisation function (ELF) perspective.

Mierzwa Grzegorz, Gordon Agnieszka J., Berski Sławomir

2019

Topological analysis of electron localisation function: unlocking the nature of B—C chemical bond. Possible existence of multiple bonds B=C and B≡C.

Mierzwa Grzegorz, Gordon Agnieszka J., Berski Sławomir

2019

Topological analysis of the electron localisation function (ELF) applied to the electronic structure of oxaziridine: the nature of N-O bond.

Michalski Michał, Gordon Agnieszka J., Berski Sławomir

2019

Zastosowanie topologicznej analizy funkcji lokalizacji elektronów (ELF) do badania struktury elektronowej molekuł = Application of topological analysis of electron localisation function (ELF) to study electronic structure of molecules.

Berski Sławomir